Basic information
- Standard SMILES
COCCC(C(=O)Nc1ccn(CC(O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O- InChIKey
UHDVGAAIUGDTFT-UHFFFAOYSA-N- Molecular formula
- C21H25ClN4O6
- Average molar mass
- 464.9 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-4-methoxybutanamide
- IUPAC
- 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-4-methoxybutanamide
Names & synonyms
SCHEMBL1081357
Database identifiers
- PubChem CID
- 66899720
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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